methyl 1-[2-oxidanylidene-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-oxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]ethyl]indole-3-carboxylate CAS Name: 1-[2-oxo-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propylamino]ethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]ethyl]indole-3-carboxylate Traditional Name: 1-[2-keto-2-[3-[4-(2-pyrimidyl)piperazino]propylamino]ethyl]indole-3-carboxylic acid methyl ester Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H28N6O3/c1-32-22(31)19-16-29(20-7-3-2-6-18(19)20)17-21(30)24-10-5-11-27-12-14-28(15-13-27)23-25-8-4-9-26-23/h2-4,6-9,16H,5,10-15,17H2,1H3,(H,24,30)